2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine

C12H16N4 — CID 116877075

IUPAC2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C12H16N4/c1-9(7-13)6-12-15-8-11(16-12)10-4-2-3-5-14-10/h2-5,8-9H,6-7,13H2,1H3,(H,15,16)
InChIKeyPXLFZLDGUAPSRR-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.61
Rot. Bonds4

About 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine

2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine (PubChem CID 116877075) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
PubChem CID116877075
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCC(CN)Cc1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C12H16N4/c1-9(7-13)6-12-15-8-11(16-12)10-4-2-3-5-14-10/h2-5,8-9H,6-7,13H2,1H3,(H,15,16)
InChIKeyPXLFZLDGUAPSRR-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877072
3-methyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 65231005
2-methyl-4-(5-pyridin-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 116877273
2-phenyl-2-(5-pyridin-2-yl-1H-imidazol-2-yl)ethanamine
CID 62878389
3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-ol
CID 116878481
1-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 43649901
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
2-methyl-3-[5-(1-methylbenzimidazol-5-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116877066
2-methyl-3-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116877030
1-[1-(5-pyridin-2-yl-1H-imidazol-2-yl)ethyl]piperazine
CID 116883368
2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine
CID 83124915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine (CID 116877075) is 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine is CC(CN)Cc1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine?
The InChIKey is PXLFZLDGUAPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(7-13)6-12-15-8-11(16-12)10-4-2-3-5-14-10/h2-5,8-9H,6-7,13H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine?
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 116877075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).